SCHEMBL29664640

SCHEMBL29664640

COc1cc(CC#N)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.61
LOX P28300 3/20 0.61
FFAR1 O14842 1/20 0.40
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
CYP3A4 P08684 1/20 0.37
PDE5A O76074 1/20 0.36
FLT3 P36888 1/20 0.36
ACACB O00763 1/20 0.36
TNIK Q9UKE5 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
ENPP2 Q13822 1/20 0.35
GRM5 P41594 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
GRM2 Q14416 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23215147 1.00 LOXL2 (0.61) LOXL2LOXFFAR1PIK3CDPIK3CA
SCHEMBL3445901 0.77 RECQL (0.42) LOXL2LOXPIK3CDPIK3CAPIK3CB
SCHEMBL805488 0.77 LOXL2 (0.69) LOXL2LOXFFAR1PIK3CAACACB
SCHEMBL178404 0.76 LOXL2 (0.62) LOXL2LOXFFAR1PDE5AACACB
SCHEMBL130180 0.76 LOXL2 (0.67) LOXL2LOXFFAR1AAK1ACACB
SCHEMBL449200 0.76 LOXL2 (1.00) LOXL2LOX
SCHEMBL29841095 0.76 GRM5 (0.46) FFAR1AAK1CYP3A4DYRK1AENPP2
SCHEMBL2224895 0.76 LOXL2 (0.67) LOXL2LOXFFAR1ACACBDYRK1A
SCHEMBL2092744 0.76 LOXL2 (0.67) LOXL2LOXFFAR1ACACBDYRK1A
SCHEMBL17752 0.76 LOXL2 (0.67) LOXL2LOXFFAR1PDE5AACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114729044-A Muscarinic acetylcholine M1Receptor antagonists 帕珀莱恩医疗公司 2022-07-08 CN disclosed